4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid

C19H12N2O4 — CID 11782518

IUPAC4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
SMILESCOC(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12
InChIInChI=1S/C19H12N2O4/c1-25-19(24)12-5-2-4-11-10(12)8-9-15-16(11)21-17-13(18(22)23)6-3-7-14(17)20-15/h2-9H,1H3,(H,22,23)
InChIKeyQZSLDNUTSCIZLW-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.42
Rot. Bonds2

About 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid

4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid (PubChem CID 11782518) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
PubChem CID11782518
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
SMILESCOC(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12
InChIInChI=1S/C19H12N2O4/c1-25-19(24)12-5-2-4-11-10(12)8-9-15-16(11)21-17-13(18(22)23)6-3-7-14(17)20-15/h2-9H,1H3,(H,22,23)
InChIKeyQZSLDNUTSCIZLW-UHFFFAOYSA-N
XLogP3.42
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid
CID 10937458
3-methylsulfonylbenzo[a]phenazine-11-carboxylic acid
CID 11035560
methyl acridine-1-carboxylate
CID 54560619
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate
CID 11823800
3-nitrobenzo[a]phenazine-11-carboxylic acid
CID 10925216
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl acridine-9-carboxylate
CID 21211
methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate
CID 11121568
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid?
The IUPAC name of 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid (CID 11782518) is 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid?
The canonical SMILES for 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid is COC(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12.
What is the InChIKey of 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid?
The InChIKey is QZSLDNUTSCIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c1-25-19(24)12-5-2-4-11-10(12)8-9-15-16(11)21-17-13(18(22)23)6-3-7-14(17)20-15/h2-9H,1H3,(H,22,23).
What are the key properties of 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid?
4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid is sourced from PubChem (CID 11782518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).